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CC=Collection Code: [AB2X4]=ANX Form: [cF56]=Pearson: [e d a]=Wyckoff Symbol: [Al2MgO4]=Structure Type:
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Title
The structures of X2 ((Mo6 Cl8) Cl6) * n(H2 O), X = N H4, K, Rb, Cs.
Authors
Flemstroem, A.; Hirsch, T.K.; Eriksson, L.; Lidin, S.
Reference
IC&volume=6&fpage=509&details=yes target=icsd_help>Solid State Sciences (2004)
6
, 509-517
Link
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Compound
H2 Cl14 Mo6 O1 Rb2
- Dirubidium octa-mue3-chloro-hexakis(chloromolybdate(II)) hydrate
[
A2B6XY14
] [
mS100
] [
a24
] [
]
Cell
9.215(1), 14.941(3), 17.532(2), 90, 92.70(1), 90
I1A1 (9)
V=2411.15
Remarks
R=0.043000 : D
The coordinates are those given in the paper but the atomic distances do not agree with those calculated during testing.The coordinates are probably correct.
At least one temperature factor missing in the paper.
Atom (site) Oxid.
x, y, z, B, Occupancy
Mo1
(4a)
2
Mo2
(4a)
2
Mo3
(4a)
2
Mo4
(4a)
2
Mo5
(4a)
2
Mo6
(4a)
2
Cl1
(4a)
-1
Cl2
(4a)
-1
Cl3
(4a)
-1
Cl4
(4a)
-1
Cl5
(4a)
-1
Cl6
(4a)
-1
Cl7
(4a)
-1
Cl8
(4a)
-1
Cl9
(4a)
-1
Cl10
(4a)
-1
Cl11
(4a)
-1
Cl12
(4a)
-1
Cl13
(4a)
-1
Cl14
(4a)
-1
Rb1
(4a)
1
Rb2
(4a)
1
Rb3
(4a)
1
O1
(4a)
-2
H1
(4a)
1
H2
(4a)
1
0.25
0.14
0.19
0
1
0.75
0.85
0.80
0
1
0.16
0.19
0.33
0
1
0.83
0.80
0.66
0
1
0.06
0.27
0.20
0
1
-0.0
0.72
0.79
0
1
0.50
0.18
0.16
0.01
1
0.50
0.82
0.83
0.02
1
-0.0
0.12
0.23
0.02
1
-0.0
0.88
0.76
0.02
1
0.33
0.06
0.31
0.02
1
0.65
-0.0
0.67
0.01
1
0.15
0.23
0.08
0.01
1
0.83
0.77
-0.0
0.02
1
0.26
0.00
0.12
0.03
1
0.75
-0.0
0.87
0.02
1
0.05
0.10
0.43
0.02
1
-0.0
0.87
0.55
0.02
1
0.67
0.19
0.35
0.03
1
0.32
0.81
0.65
0.03
1
0.24
0.55
-0.0
0
1
0.51
0.04
-0.0
0.06
0.39
0.49
-0.0
0.00
0.06
0.60
0.21
0.66
0.50
0.04
1.
0.20
0.70
0.45
0
1
0.24
0.70
0.54
0
1
Atom (site) Oxid.
U11, U22, U33, U12, U13, U23
Mo1
(4a)
2
Mo2
(4a)
2
Mo3
(4a)
2
Mo4
(4a)
2
Mo5
(4a)
2
Mo6
(4a)
2
Cl1
(4a)
-1
Cl2
(4a)
-1
Cl3
(4a)
-1
Cl4
(4a)
-1
Cl5
(4a)
-1
Cl6
(4a)
-1
Cl7
(4a)
-1
Cl8
(4a)
-1
Cl9
(4a)
-1
Cl10
(4a)
-1
Cl11
(4a)
-1
Cl12
(4a)
-1
Cl13
(4a)
-1
Cl14
(4a)
-1
Rb1
(4a)
1
Rb2
(4a)
1
Rb3
(4a)
1
O1
(4a)
-2
H1
(4a)
1
H2
(4a)
1
.024
.012
.017
.000
.005
.000
.016
.016
.018
-.00
.001
-.00
.016
.016
.015
-.00
.003
.003
.014
.016
.017
-.00
.003
.004
.013
.018
.020
-.00
-.00
.004
.016
.019
.015
.001
.002
.004
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
.027
.037
.043
-.00
.007
.003
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
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